3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C20H22FN3O3 — CID 87023467

IUPAC3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1F
InChIInChI=1S/C20H22FN3O3/c1-12(13-6-9-18(27-2)17(21)11-13)22-19(25)14-4-3-5-16(10-14)24-20(26)23-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyFWRVYGLYEHHPMJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.61
Rot. Bonds6

About 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 87023467) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID87023467
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1F
InChIInChI=1S/C20H22FN3O3/c1-12(13-6-9-18(27-2)17(21)11-13)22-19(25)14-4-3-5-16(10-14)24-20(26)23-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyFWRVYGLYEHHPMJ-UHFFFAOYSA-N
XLogP3.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 86914769
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 87023467) is 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1F.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FWRVYGLYEHHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12(13-6-9-18(27-2)17(21)11-13)22-19(25)14-4-3-5-16(10-14)24-20(26)23-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 371.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 87023467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).